2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine

C23H18Cl2N2O3S — CID 18826552

IUPAC2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCc2ccccc2Cl)cc1
InChIInChI=1S/C23H18Cl2N2O3S/c1-15-10-12-17(13-11-15)31(28,29)23-22(26-14-16-6-2-4-8-19(16)24)30-21(27-23)18-7-3-5-9-20(18)25/h2-13,26H,14H2,1H3
InChIKeyGARPAKMWWJNXIT-UHFFFAOYSA-N
MW473.38 g/mol
LogP6.40
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine

2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18826552) has the molecular formula C23H18Cl2N2O3S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18826552
Molecular FormulaC23H18Cl2N2O3S
Molecular Weight473.38 g/mol
Exact Mass472.04
IUPAC Name2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCc2ccccc2Cl)cc1
InChIInChI=1S/C23H18Cl2N2O3S/c1-15-10-12-17(13-11-15)31(28,29)23-22(26-14-16-6-2-4-8-19(16)24)30-21(27-23)18-7-3-5-9-20(18)25/h2-13,26H,14H2,1H3
InChIKeyGARPAKMWWJNXIT-UHFFFAOYSA-N
XLogP6.40
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18826552) is 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is GARPAKMWWJNXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3S/c1-15-10-12-17(13-11-15)31(28,29)23-22(26-14-16-6-2-4-8-19(16)24)30-21(27-23)18-7-3-5-9-20(18)25/h2-13,26H,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 473.38 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).